N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide

C16H14FN3O — CID 2742951

IUPACN-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nn(C)c3cccc(F)c23)cc1
InChIInChI=1S/C16H14FN3O/c1-10-6-8-11(9-7-10)16(21)18-15-14-12(17)4-3-5-13(14)20(2)19-15/h3-9H,1-2H3,(H,18,19,21)
InChIKeyDZHLLUZYVVRZKS-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.27
Rot. Bonds2

About N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide

N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide (PubChem CID 2742951) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide
PubChem CID2742951
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nn(C)c3cccc(F)c23)cc1
InChIInChI=1S/C16H14FN3O/c1-10-6-8-11(9-7-10)16(21)18-15-14-12(17)4-3-5-13(14)20(2)19-15/h3-9H,1-2H3,(H,18,19,21)
InChIKeyDZHLLUZYVVRZKS-UHFFFAOYSA-N
XLogP3.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide?
The IUPAC name of N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide (CID 2742951) is N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide.
What is the SMILES notation for N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide?
The canonical SMILES for N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nn(C)c3cccc(F)c23)cc1.
What is the InChIKey of N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide?
The InChIKey is DZHLLUZYVVRZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-6-8-11(9-7-10)16(21)18-15-14-12(17)4-3-5-13(14)20(2)19-15/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide?
N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide has a molecular weight of 283.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1-methylindazol-3-yl)-4-methylbenzamide is sourced from PubChem (CID 2742951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).